4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane

C173H186F2N32O9S2 — CID 157304617

IUPAC4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCOC1CCN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)CC1.COc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N(C)C)oc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cn1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CC4(CCOCC4)C2)nc1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCC4(CC2)COC4)nc1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc2nc(N4CCOCC4)sc2c1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc2sc(N4CCOCC4)nc2c1)CC3
InChIInChI=1S/2C23H26N4O.2C22H22N4OS.C22H26N4O.C21H22N4O2.2C20H21FN4O/c1-2-4-20-18(3-1)19-7-10-27(14-21(19)25-20)17-5-6-22(24-13-17)26-11-8-23(9-12-26)15-28-16-23;1-2-4-20-18(3-1)19-7-10-26(14-21(19)25-20)17-5-6-22(24-13-17)27-15-23(16-27)8-11-28-12-9-23;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)15-5-6-21-19(13-15)24-22(28-21)25-9-11-27-12-10-25;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)15-5-6-19-21(13-15)28-22(24-19)25-9-11-27-12-10-25;1-27-17-8-11-25(12-9-17)22-7-6-16(14-23-22)26-13-10-19-18-4-2-3-5-20(18)24-21(19)15-26;1-24(2)21-23-18-6-4-13(10-20(18)27-21)25-9-8-15-16-11-14(26-3)5-7-17(16)22-19(15)12-25;21-14-1-3-18-17(11-14)16-5-6-25(13-19(16)23-18)15-2-4-20(22-12-15)24-7-9-26-10-8-24;21-14-1-3-18-17(11-14)16-5-6-25(13-19(16)23-18)20-4-2-15(12-22-20)24-7-9-26-10-8-24/h2*1-6,13,25H,7-12,14-16H2;2*1-6,13,23H,7-12,14H2;2-7,14,17,24H,8-13,15H2,1H3;4-7,10-11,22H,8-9,12H2,1-3H3;2*1-4,11-12,23H,5-10,13H2
InChIKeyBCHRQDINHDLRCG-UHFFFAOYSA-N
MW2959.74 g/mol
LogP29.73
Rot. Bonds18

About 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane

4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 157304617) has the molecular formula C173H186F2N32O9S2 and a molecular weight of 2959.74 g/mol. Its IUPAC name is 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane
PubChem CID157304617
Molecular FormulaC173H186F2N32O9S2
Molecular Weight2959.74 g/mol
Exact Mass2957.45
IUPAC Name4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCOC1CCN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)CC1.COc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N(C)C)oc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cn1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CC4(CCOCC4)C2)nc1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCC4(CC2)COC4)nc1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc2nc(N4CCOCC4)sc2c1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc2sc(N4CCOCC4)nc2c1)CC3
InChIInChI=1S/2C23H26N4O.2C22H22N4OS.C22H26N4O.C21H22N4O2.2C20H21FN4O/c1-2-4-20-18(3-1)19-7-10-27(14-21(19)25-20)17-5-6-22(24-13-17)26-11-8-23(9-12-26)15-28-16-23;1-2-4-20-18(3-1)19-7-10-26(14-21(19)25-20)17-5-6-22(24-13-17)27-15-23(16-27)8-11-28-12-9-23;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)15-5-6-21-19(13-15)24-22(28-21)25-9-11-27-12-10-25;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)15-5-6-19-21(13-15)28-22(24-19)25-9-11-27-12-10-25;1-27-17-8-11-25(12-9-17)22-7-6-16(14-23-22)26-13-10-19-18-4-2-3-5-20(18)24-21(19)15-26;1-24(2)21-23-18-6-4-13(10-20(18)27-21)25-9-8-15-16-11-14(26-3)5-7-17(16)22-19(15)12-25;21-14-1-3-18-17(11-14)16-5-6-25(13-19(16)23-18)15-2-4-20(22-12-15)24-7-9-26-10-8-24;21-14-1-3-18-17(11-14)16-5-6-25(13-19(16)23-18)20-4-2-15(12-22-20)24-7-9-26-10-8-24/h2*1-6,13,25H,7-12,14-16H2;2*1-6,13,23H,7-12,14H2;2-7,14,17,24H,8-13,15H2,1H3;4-7,10-11,22H,8-9,12H2,1-3H3;2*1-4,11-12,23H,5-10,13H2
InChIKeyBCHRQDINHDLRCG-UHFFFAOYSA-N
XLogP29.73
TPSA368.26 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002959.74
LogP ≤ 529.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane (CID 157304617) is 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane is COC1CCN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)CC1.COc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N(C)C)oc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cn1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CC4(CCOCC4)C2)nc1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCC4(CC2)COC4)nc1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc2nc(N4CCOCC4)sc2c1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc2sc(N4CCOCC4)nc2c1)CC3.
What is the InChIKey of 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is BCHRQDINHDLRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26N4O.2C22H22N4OS.C22H26N4O.C21H22N4O2.2C20H21FN4O/c1-2-4-20-18(3-1)19-7-10-27(14-21(19)25-20)17-5-6-22(24-13-17)26-11-8-23(9-12-26)15-28-16-23;1-2-4-20-18(3-1)19-7-10-26(14-21(19)25-20)17-5-6-22(24-13-17)27-15-23(16-27)8-11-28-12-9-23;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)15-5-6-21-19(13-15)24-22(28-21)25-9-11-27-12-10-25;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)15-5-6-19-21(13-15)28-22(24-19)25-9-11-27-12-10-25;1-27-17-8-11-25(12-9-17)22-7-6-16(14-23-22)26-13-10-19-18-4-2-3-5-20(18)24-21(19)15-26;1-24(2)21-23-18-6-4-13(10-20(18)27-21)25-9-8-15-16-11-14(26-3)5-7-17(16)22-19(15)12-25;21-14-1-3-18-17(11-14)16-5-6-25(13-19(16)23-18)15-2-4-20(22-12-15)24-7-9-26-10-8-24;21-14-1-3-18-17(11-14)16-5-6-25(13-19(16)23-18)20-4-2-15(12-22-20)24-7-9-26-10-8-24/h2*1-6,13,25H,7-12,14-16H2;2*1-6,13,23H,7-12,14H2;2-7,14,17,24H,8-13,15H2,1H3;4-7,10-11,22H,8-9,12H2,1-3H3;2*1-4,11-12,23H,5-10,13H2.
What are the key properties of 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane?
4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 2959.74 g/mol, XLogP of 29.73, 18 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;2-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane;7-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 157304617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).